6OOI
Crystal structure of triosephosphate isomerase from Schistosoma mansoni in complex with 2PG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002+ |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-08-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5419 |
| Spacegroup name | P 43 |
| Unit cell lengths | 108.050, 108.050, 182.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.609 - 2.140 |
| R-factor | 0.1814 |
| Rwork | 0.180 |
| R-free | 0.22880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zfx |
| Data reduction software | Aimless |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.610 | 2.180 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.153 | 0.804 |
| Rmeas | 0.173 | 0.917 |
| Rpim | 0.081 | 0.436 |
| Total number of observations | 517652 | 24134 |
| Number of reflections | 115018 | 5688 |
| <I/σ(I)> | 5.6 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.5 | 4.2 |
| CC(1/2) | 0.984 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.05M Cesium chloride 0.1M MES monohydrate 6.5 30% v/v Jeffamine M-600 |
